methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C18H17N5O2S — CID 118167941

IUPACmethyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2c(C)nnc2C)c2ncc(-c3ccc(C)s3)n2c1
InChIInChI=1S/C18H17N5O2S/c1-10-5-6-16(26-10)15-8-19-17-14(23-11(2)20-21-12(23)3)7-13(9-22(15)17)18(24)25-4/h5-9H,1-4H3
InChIKeyIYHKBWNZUPQHOE-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.36
Rot. Bonds3

About methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 118167941) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID118167941
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Namemethyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2c(C)nnc2C)c2ncc(-c3ccc(C)s3)n2c1
InChIInChI=1S/C18H17N5O2S/c1-10-5-6-16(26-10)15-8-19-17-14(23-11(2)20-21-12(23)3)7-13(9-22(15)17)18(24)25-4/h5-9H,1-4H3
InChIKeyIYHKBWNZUPQHOE-UHFFFAOYSA-N
XLogP3.36
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 118167941) is methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(-n2c(C)nnc2C)c2ncc(-c3ccc(C)s3)n2c1.
What is the InChIKey of methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is IYHKBWNZUPQHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-5-6-16(26-10)15-8-19-17-14(23-11(2)20-21-12(23)3)7-13(9-22(15)17)18(24)25-4/h5-9H,1-4H3.
What are the key properties of methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 118167941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).